Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model

Title
Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model
Authors
Keywords
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Journal
Journal of Chemical Information and Modeling
Volume 49, Issue 12, Pages 2851-2862
Publisher
American Chemical Society (ACS)
Online
2009-11-24
DOI
10.1021/ci900320p

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